Spin-gapless van der Waals heterostructure for spin gating through magnetic injection devices.

Spin-gapless semiconductors (SGSs) are new magnetic zero-bandgap materials whose band structure is extremely sensitive to external influences (pressure or magnetic fields) and have great potential for high-speed and low-energy spintronics applications. The first-principles method was used to systematically study the heterostructures constructed of an asymmetric surface-functionalized Janus MXene material, CrNOF, and a two-dimensional hexagonal lattice (2DH) semiconductor material and to study the effects of the electronic structure, Curie temperature, magnetism, and the design of unusual band structures and magnetic injection in the bilayer to obtain an SGS structure. Through the design and construction of CrNOF/2DH van der Waals heterojunction spintronic devices, the spin-filtering effect of the devices can reach 100%, especially, realizing spin gating through magnetic injection.

A first-principles study of the ultra-high spin rectification effect based on nitride MXenes (ScNO, TiNO).

Nitride MXenes exhibit inherent strong chemical stability and ferromagnetic properties, which are significant for their application in nanoscale spintronic devices. To demonstrate the potential of nitride MXenes in spintronics, we have designed a ScNO/TiNO heterojunction and investigated its spin transport properties using first principles calculations combined with the non-equilibrium Green's function. The results show that the ScNO/TiNO heterojunction has a stable negative differential resistance effect and a great spin rectification effect with a rectification ratio of 1.

Bimetallic Alloys b-AsP at High Concentration Differences: Ideal for Photonic Devices.

Black arsenic phosphorus (b-AsP) is expected to be one of the primary materials for future photonic devices. However, the -factor is randomly estimated and applied in photonic devices in current studies, rather than systematically analyzing it for a comprehensive understanding. Herein, AsP switches from a direct band gap semiconductor to an indirect band gap one at = 0.

Potential outstanding physical properties of novel black arsenic phosphorus AsP/AsP phases: a first-principles investigation.

Black arsenic phosphorus AsP has been studied as an excellent candidate for electronic and optoelectronic applications. At the same time, the physical properties of As P alloys with other compositions were not investigated. In this work, we design seven AsP(P-I and P-II)/AsP(As-(I, II, III, IV and V)) phases with molecular dynamics stability.